2-[bis(2-methylpropyl)amino]ethylurea

C11H25N3O — CID 22179521

IUPAC2-[bis(2-methylpropyl)amino]ethylurea
SMILESCC(C)CN(CCNC(N)=O)CC(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)7-14(8-10(3)4)6-5-13-11(12)15/h9-10H,5-8H2,1-4H3,(H3,12,13,15)
InChIKeyFBSOTXROCVTVDS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.27
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]ethylurea

2-[bis(2-methylpropyl)amino]ethylurea (PubChem CID 22179521) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]ethylurea.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]ethylurea
PubChem CID22179521
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[bis(2-methylpropyl)amino]ethylurea
SMILESCC(C)CN(CCNC(N)=O)CC(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)7-14(8-10(3)4)6-5-13-11(12)15/h9-10H,5-8H2,1-4H3,(H3,12,13,15)
InChIKeyFBSOTXROCVTVDS-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]ethylurea?
The IUPAC name of 2-[bis(2-methylpropyl)amino]ethylurea (CID 22179521) is 2-[bis(2-methylpropyl)amino]ethylurea.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]ethylurea?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]ethylurea is CC(C)CN(CCNC(N)=O)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]ethylurea?
The InChIKey is FBSOTXROCVTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)7-14(8-10(3)4)6-5-13-11(12)15/h9-10H,5-8H2,1-4H3,(H3,12,13,15).
What are the key properties of 2-[bis(2-methylpropyl)amino]ethylurea?
2-[bis(2-methylpropyl)amino]ethylurea has a molecular weight of 215.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]ethylurea is sourced from PubChem (CID 22179521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).